(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol

C18H22BrN3O — CID 7110489

IUPAC(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1nn(C[C@H](O)Cn2c(C)c(C)c3ccccc32)c(C)c1Br
InChIInChI=1S/C18H22BrN3O/c1-11-13(3)21(17-8-6-5-7-16(11)17)9-15(23)10-22-14(4)18(19)12(2)20-22/h5-8,15,23H,9-10H2,1-4H3/t15-/m1/s1
InChIKeyGAGJAHQNKGFUGK-OAHLLOKOSA-N
MW376.30 g/mol
LogP3.90
Rot. Bonds4

About (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol

(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol (PubChem CID 7110489) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol
PubChem CID7110489
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1nn(C[C@H](O)Cn2c(C)c(C)c3ccccc32)c(C)c1Br
InChIInChI=1S/C18H22BrN3O/c1-11-13(3)21(17-8-6-5-7-16(11)17)9-15(23)10-22-14(4)18(19)12(2)20-22/h5-8,15,23H,9-10H2,1-4H3/t15-/m1/s1
InChIKeyGAGJAHQNKGFUGK-OAHLLOKOSA-N
XLogP3.90
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-phenothiazin-10-ylpropan-2-ol
CID 2897119
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2951754
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3151627
2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]sulfanylphenol
CID 70694767
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 4053072
1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
CID 21235133
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
(2R)-1-(4-benzylpiperazin-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 21235149
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol (CID 7110489) is (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol is Cc1nn(C[C@H](O)Cn2c(C)c(C)c3ccccc32)c(C)c1Br.
What is the InChIKey of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The InChIKey is GAGJAHQNKGFUGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-11-13(3)21(17-8-6-5-7-16(11)17)9-15(23)10-22-14(4)18(19)12(2)20-22/h5-8,15,23H,9-10H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol has a molecular weight of 376.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 7110489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).